2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine

C72H56BBr3N6O2 — CID 157335137

About 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine

2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 157335137) has the molecular formula C72H56BBr3N6O2 and a molecular weight of 1287.80 g/mol. Its IUPAC name is 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 157335137
• Molecular Formula: C72H56BBr3N6O2
• Molecular Weight: 1287.80 g/mol
• Exact Mass: 1284.21
• IUPAC Name: 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine
• SMILES: Brc1ccccc1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.Brc1ccccc1Br.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)OC1(C)C
• InChI: InChI=1S/C33H30BN3O2.C33H22BrN3.C6H4Br2/c1-32(2)33(3,4)39-34(38-32)28-20-12-18-26(22-28)25-17-11-19-27(21-25)31-36-29(23-13-7-5-8-14-23)35-30(37-31)24-15-9-6-10-16-24;34-30-20-8-7-19-29(30)27-17-9-15-25(21-27)26-16-10-18-28(22-26)33-36-31(23-11-3-1-4-12-23)35-32(37-33)24-13-5-2-6-14-24;7-5-3-1-2-4-6(5)8/h5-22H,1-4H3;1-22H;1-4H
• InChIKey: BFTFPZMCOCAJLK-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.80
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine (CID 157335137) is 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine is Brc1ccccc1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.Brc1ccccc1Br.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)OC1(C)C.

What is the InChIKey of 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is BFTFPZMCOCAJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30BN3O2.C33H22BrN3.C6H4Br2/c1-32(2)33(3,4)39-34(38-32)28-20-12-18-26(22-28)25-17-11-19-27(21-25)31-36-29(23-13-7-5-8-14-23)35-30(37-31)24-15-9-6-10-16-24;34-30-20-8-7-19-29(30)27-17-9-15-25(21-27)26-16-10-18-28(22-26)33-36-31(23-11-3-1-4-12-23)35-32(37-33)24-13-5-2-6-14-24;7-5-3-1-2-4-6(5)8/h5-22H,1-4H3;1-22H;1-4H.

What are the key properties of 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine?

2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1287.80 g/mol, XLogP of 19.02, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;1,2-dibromobenzene;2,4-diphenyl-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 157335137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).